2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(ethylthio)-5-[4-(1H-indol-4-yl)-1-piperazinyl]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(ethylthio)-5-[4-(1H-indol-4-yl)piperazino]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C25H22F3N5S2 MolecularWeight: 513.60089

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(C(=C1C#N)C(F)(F)F)N2CCN(CC2)C3=CC=CC4=C3C=CN4)C5=CC=CS5

Isomeric SMILES

CCSC1=NC(=C(C(=C1C#N)C(F)(F)F)N2CCN(CC2)C3=CC=CC4=C3C=CN4)C5=CC=CS5

InChI

InChI=1S/C25H22F3N5S2/c1-2-34-24-17(15-29)21(25(26,27)28)23(22(31-24)20-7-4-14-35-20)33-12-10-32(11-13-33)19-6-3-5-18-16(19)8-9-30-18/h3-9,14,30H,2,10-13H2,1H3